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Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM596938
Substrate
n/a
Meas. Tech.
TR-FRET Binding Assay
Ki
<0.200±n/a nM
Citation
 Lee, T; Tarr, JC; Jeon, K; Salovich, JM; Shaw, S; Veerasamy, N; Kim, K; Christov, PP; Olejniczak, ET; Zhao, B; Fesik, SW; Bian, Z Substituted indole Mcl-1 inhibitors US Patent  US11596639 Publication Date 3/7/2023 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms:
BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT
Type:
Membrane; Single-pass membrane protein
Mol. Mass.:
37332.87
Organism:
Homo sapiens (Human)
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM596938
Synonyms:
US11596639, Example 535
Type:
Small organic molecule
Emp. Form.:
C40H39Cl2N5O5
Mol. Mass.:
740.674
SMILES:
COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:7.7,(6.03,-.71,;6.67,.69,;5.77,1.95,;4.24,1.8,;3.34,3.05,;1.81,2.91,;.91,4.15,;-.63,3.99,;-.63,5.53,;-1.25,2.58,;-.35,1.34,;-1.25,.09,;-.78,-1.37,;.73,-1.7,;1.21,-3.16,;2.72,-3.49,;3.2,-4.95,;4.72,-5.22,;5.25,-6.67,;6.75,-6.99,;4.26,-7.85,;4.73,-9.31,;2.74,-7.58,;1.77,-8.78,;2.21,-6.13,;-2.72,.57,;-4.05,-.2,;-5.38,.57,;-5.38,2.11,;-6.75,2.81,;-4.05,2.88,;-4.05,4.42,;-5.38,5.19,;-6.72,4.42,;-5.38,6.73,;-4.05,7.5,;-2.72,6.73,;-2.72,5.19,;-1.38,4.42,;-2.72,2.11,;1.18,1.5,;2.08,.25,;3.98,4.45,;3.37,5.87,;1.86,6.2,;4.52,6.89,;5.85,6.11,;5.51,4.6,;6.41,3.35,;4.37,8.42,;5.63,9.31,;2.97,9.06,)|
Structure:
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